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Information card for entry 2233811
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| Coordinates | 2233811.cif |
|---|---|
| Structure factors | 2233811.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 1D-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>- tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate) |
|---|---|
| Chemical name | tetrabenzyl (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-4-(<i>tert</i>- butyldiphenylsilyloxy)-3,5,6-tris(methoxymethoxy)cyclohexane-1,2-diyl bisphosphate |
| Formula | C56 H68 O15 P2 Si |
| Calculated formula | C56 H68 O15 P2 Si |
| Title of publication | 1<small>D</small>-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>-tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate) |
| Authors of publication | Anderson, Regan J.; Gainsford, Graeme J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o900 |
| a | 10.4052 ± 0.0007 Å |
| b | 53.019 ± 0.003 Å |
| c | 10.0786 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5560.1 ± 0.6 Å3 |
| Cell temperature | 118 ± 2 K |
| Ambient diffraction temperature | 118 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233811.cif 2233811.hkl |
| 181260 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/38. |
2233811.cif 2233811.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233811.cif 2233811.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233811.cif 2233811.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233811.cif 2233811.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233811.cif 2233811.hkl |
| 51063 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233811 via cif-deposit CGI script. |
2233811.cif |
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Users of the data should acknowledge the original authors of the
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